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SCHEMBL9800557

SCHEMBL9800557

CSC[C@H](NC(=O)O)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)C1CC1

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 16/20 0.61
▸ P2RX1 P51575 1/20 0.40
▸ PSEN1 P49768 1/20 0.38
▸ PSEN2 P49810 1/20 0.38
▸ APH1B Q8WW43 1/20 0.38
▸ NCSTN Q92542 1/20 0.38
▸ APH1A Q96BI3 1/20 0.38
▸ PSENEN Q9NZ42 1/20 0.38
▸ CPB2 Q96IY4 1/20 0.38
▸ FNTA P49354 1/20 0.38
▸ FNTB P49356 1/20 0.38
▸ PGGT1B P53609 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9256057 0.86 REN (0.56) RENP2RX1PSEN1PSEN2APH1B
SCHEMBL7276949 0.86 REN (0.56) RENP2RX1PSEN1PSEN2APH1B
SCHEMBL8909805 0.86 REN (0.56) RENP2RX1PSEN1PSEN2APH1B
SCHEMBL7429514 0.85 REN (0.43) RENP2RX1PSEN1PSEN2APH1B
SCHEMBL7283265 0.84 REN (0.49) RENCPB2
SCHEMBL7292991 0.82 REN (0.43) RENP2RX1PSEN1PSEN2APH1B
SCHEMBL8908872 0.75 REN (0.44) RENP2RX1
SCHEMBL9800618 0.75 P2RX1 (0.68) RENP2RX1
SCHEMBL9800614 0.75 P2RX1 (0.68) RENP2RX1
SCHEMBL9252929 0.74 REN (0.49) REN

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0416373-A2 Amino acid derivatives F. HOFFMANN-LA ROCHE AG (CH) 1991-03-13 — — EP disclosed